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Methyl 2-oxo-1-(1'-phenylthioethyl)cyclopentanecarboxylate
SpectraBase Compound ID 7gFHcZofyHF
InChI InChI=1S/C15H18O3S/c1-11(19-12-7-4-3-5-8-12)15(14(17)18-2)10-6-9-13(15)16/h3-5,7-8,11H,6,9-10H2,1-2H3/t11-,15+/m0/s1
InChIKey LOXGUJOFWZVOJN-XHDPSFHLSA-N
Mol Weight 278.37 g/mol
Molecular Formula C15H18O3S
Exact Mass 278.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rQBB4Pqb1H
Name Methyl 2-oxo-1-(1'-phenylthioethyl)cyclopentanecarboxylate
Alternate Name(s) (R)-2-Oxo-1-((S)-1-phenylsulfanyl-ethyl)-cyclopentanecarboxylic acid methyl ester Methyl 2-oxo-1-[1-(phenylsulfanyl)ethyl]cyclopentanecarboxylate (1R)-2-oxo-1-[(1S)-1-(phenylthio)ethyl]-1-cyclopentanecarboxylic acid methyl ester Methyl (1R)-2-oxo-1-[(1S)-1-phenylsulfanylethyl]cyclopentane-1-carboxylate Methyl (1R)-2-oxo-1-[(1S)-1-phenylsulfanylethyl]cyclopentanecarboxylate Methyl (1R)-2-oxidanylidene-1-[(1S)-1-phenylsulfanylethyl]cyclopentane-1-carboxylate
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Formula C15H18O3S
InChI InChI=1S/C15H18O3S/c1-11(19-12-7-4-3-5-8-12)15(14(17)18-2)10-6-9-13(15)16/h3-5,7-8,11H,6,9-10H2,1-2H3/t11-,15+/m0/s1
InChIKey LOXGUJOFWZVOJN-XHDPSFHLSA-N
Molecular Weight 278.366 g/mol
SMILES [C@]1([C@@](Sc2ccccc2)(C)[H])(C(=O)OC)C(=O)CCC1
SPLASH splash10-0ap0-0900000000-11f4562209d0a833907f
Source of Spectrum U-1994-892-5
Wiley ID 766010